CID 5272339

Cyclohexanecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[2-(4-morpholinyl)ethyl]-

Structural Information

Molecular Formula
C24H33N5O3S
SMILES
C1CCC(CC1)C(=O)N(CCN2CCOCC2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C24H33N5O3S/c25-24-27-21(17-33-24)18-6-8-20(9-7-18)26-22(30)16-29(11-10-28-12-14-32-15-13-28)23(31)19-4-2-1-3-5-19/h6-9,17,19H,1-5,10-16H2,(H2,25,27)(H,26,30)
InChIKey
LWPZIGKPOHFCFR-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.2304 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23768 209.2
[M+Na]+ 494.21962 207.3
[M-H]- 470.22312 218.1
[M+NH4]+ 489.26422 213.3
[M+K]+ 510.19356 204.4
[M+H-H2O]+ 454.22766 198.0
[M+HCOO]- 516.22860 218.8
[M+CH3COO]- 530.24425 240.1
[M+Na-2H]- 492.20507 205.0
[M]+ 471.22985 203.6
[M]- 471.23095 203.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.